4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

C20H21N3O2 — CID 110615805

IUPAC4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1ccc(CCCC(=O)NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-10-12-16(13-11-15)6-5-9-18(24)21-14-19-22-23-20(25-19)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,21,24)
InChIKeyQIKNFLUSVBEQFT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.68
Rot. Bonds7

About 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (PubChem CID 110615805) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
PubChem CID110615805
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1ccc(CCCC(=O)NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-10-12-16(13-11-15)6-5-9-18(24)21-14-19-22-23-20(25-19)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,21,24)
InChIKeyQIKNFLUSVBEQFT-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110606895
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110408526
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 77081934

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (CID 110615805) is 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is Cc1ccc(CCCC(=O)NCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The InChIKey is QIKNFLUSVBEQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-10-12-16(13-11-15)6-5-9-18(24)21-14-19-22-23-20(25-19)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,21,24).
What are the key properties of 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110615805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).